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4-[2-Pyridyl]-3-thiosemicarbazone p-chloroacetophenone

View entire compound with spectra: 1 NMR, and 1 FTIR

4-[2-Pyridyl]-3-thiosemicarbazone p-chloroacetophenone
SpectraBase Compound ID 8y9ZHWszXqF
InChI InChI=1S/C14H13ClN4S/c1-10(11-5-7-12(15)8-6-11)18-19-14(20)17-13-4-2-3-9-16-13/h2-9H,1H3,(H2,16,17,19,20)/b18-10+
InChIKey KDMIQPLFFZWZDD-VCHYOVAHSA-N
Mol Weight 304.8 g/mol
Molecular Formula C14H13ClN4S
Exact Mass 304.054945 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7umbTEMIa82
Name 4-[2-Pyridyl]-3-thiosemicarbazone p-chloroacetophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.054945309 u
Formula C14H13ClN4S
InChI InChI=1S/C14H13ClN4S/c1-10(11-5-7-12(15)8-6-11)18-19-14(20)17-13-4-2-3-9-16-13/h2-9H,1H3,(H2,16,17,19,20)/b18-10+
InChIKey KDMIQPLFFZWZDD-VCHYOVAHSA-N
Molecular Weight 304.799 g/mol
SMILES C1=CC=CC(=N1)NC(=S)N\N=C\(C1=CC=C(C=C1)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.815613